N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide

C18H20N2O4 — CID 91810840

IUPACN-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide
SMILESO=C(NO)c1ccc(CN(CCO)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)
InChIKeyGTFAUKGKYICUDS-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.37
Rot. Bonds7

About N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide

N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide (PubChem CID 91810840) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide
PubChem CID91810840
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide
SMILESO=C(NO)c1ccc(CN(CCO)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)
InChIKeyGTFAUKGKYICUDS-UHFFFAOYSA-N
XLogP1.37
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide (CID 91810840) is N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide is O=C(NO)c1ccc(CN(CCO)C(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide?
The InChIKey is GTFAUKGKYICUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23).
What are the key properties of N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide?
N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide is sourced from PubChem (CID 91810840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).